tert-butyl 4-azanyl-3-(2,4-dimethoxyphenyl)-5-(2-methylpropyl)pyrazole-1-carboxylate

Systemtic Name: tert-butyl 4-azanyl-3-(2,4-dimethoxyphenyl)-5-(2-methylpropyl)pyrazole-1-carboxylate Openeye Name: tert-butyl 4-amino-3-(2,4-dimethoxyphenyl)-5-isobutyl-pyrazole-1-carboxylate CAS Name: 4-amino-3-(2,4-dimethoxyphenyl)-5-(2-methylpropyl)-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-3-(2,4-dimethoxyphenyl)-5-(2-methylpropyl)pyrazole-1-carboxylate Traditional Name: 4-amino-3-(2,4-dimethoxyphenyl)-5-isobutyl-pyrazole-1-carboxylic acid tert-butyl ester Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=NN1C(=O)OC(C)(C)C)C2=C(C=C(C=C2)OC)OC)N

Isomeric SMILES

CC(C)CC1=C(C(=NN1C(=O)OC(C)(C)C)C2=C(C=C(C=C2)OC)OC)N

InChI

InChI=1S/C20H29N3O4/c1-12(2)10-15-17(21)18(22-23(15)19(24)27-20(3,4)5)14-9-8-13(25-6)11-16(14)26-7/h8-9,11-12H,10,21H2,1-7H3